2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide

C18H21BrN2O — CID 9039948

IUPAC2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O/c1-3-15-6-4-5-7-17(15)20-18(22)13-21(2)12-14-8-10-16(19)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyMIDBMIBZZXCXIB-UHFFFAOYSA-N
MW361.28 g/mol
LogP4.08
Rot. Bonds6

About 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide

2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide (PubChem CID 9039948) has the molecular formula C18H21BrN2O and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
PubChem CID9039948
Molecular FormulaC18H21BrN2O
Molecular Weight361.28 g/mol
Exact Mass360.08
IUPAC Name2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
SMILESCCc1ccccc1NC(=O)CN(C)Cc1ccc(Br)cc1
InChIInChI=1S/C18H21BrN2O/c1-3-15-6-4-5-7-17(15)20-18(22)13-21(2)12-14-8-10-16(19)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,22)
InChIKeyMIDBMIBZZXCXIB-UHFFFAOYSA-N
XLogP4.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-ethylphenyl)-2-[(4-ethylphenyl)methyl-methylamino]acetamide
CID 27095559
N-(4-bromophenyl)-2-[[2-(2-ethylanilino)-2-oxoethyl]-methylamino]acetamide
CID 46562888
methyl 2-[[2-[(4-bromophenyl)methyl-methylamino]acetyl]amino]benzoate
CID 9040291
2-[(4-bromophenyl)methyl-methylamino]-N-(2-cyanophenyl)acetamide
CID 2657318
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3-dimethylphenyl)acetamide
CID 2657308
2-[(4-bromophenyl)methyl-methylamino]-N-(3-chloro-2-methylphenyl)acetamide
CID 2657306
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093
2-[(4-bromophenyl)methyl-methylamino]-N-(2,6-dimethylphenyl)acetamide
CID 9221968
N-(2-ethylphenyl)-2-[3-hydroxybutyl(methyl)amino]acetamide
CID 111488425
2-[(4-bromophenyl)methyl-methylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 2698726
2-[(4-bromophenyl)methyl-methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 8539857
N-(2,1,3-benzothiadiazol-4-yl)-2-[(4-bromophenyl)methyl-methylamino]acetamide
CID 31374291

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide?
The IUPAC name of 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide (CID 9039948) is 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide?
The canonical SMILES for 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide is CCc1ccccc1NC(=O)CN(C)Cc1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide?
The InChIKey is MIDBMIBZZXCXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21BrN2O/c1-3-15-6-4-5-7-17(15)20-18(22)13-21(2)12-14-8-10-16(19)11-9-14/h4-11H,3,12-13H2,1-2H3,(H,20,22).
What are the key properties of 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide?
2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide has a molecular weight of 361.28 g/mol, XLogP of 4.08, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide is sourced from PubChem (CID 9039948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).